hecss
High Efficiency Configuration Space Sampler
High Efficiency Configuration Space Sampler
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HECSS is a Markow chain Monte-Carlo, configuration space sampler using Metropolis-Hastings algorithm for probablity distribution sampling. It provides an alternative way to create representations of systems at thermal equilibrium without running a very expensive molecular dynamics simulation. The theoretical foundation of the code are presented in the section Background in the Documentation. More detailed examples are included in the LAMMPS and VASP tutorials.
Summary
High Efficiency Configuration Space Sampler
Last Updated
May 18, 2022 at 07:46
License
GPL-3.0-or-later
Total Downloads
6
GitHub Repository
https://gitlab.com/jochym/hecssDocumentation
https://jochym.gitlab.io/hecss